N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C23H30N2O2S — CID 20877747

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc2c1-c1sc(C(=O)NCCCN3CC(C)CC(C)C3)cc1CO2
InChIInChI=1S/C23H30N2O2S/c1-15-10-16(2)13-25(12-15)9-5-8-24-23(26)20-11-18-14-27-19-7-4-6-17(3)21(19)22(18)28-20/h4,6-7,11,15-16H,5,8-10,12-14H2,1-3H3,(H,24,26)
InChIKeyWSLYZHXKHXUINQ-UHFFFAOYSA-N
MW398.57 g/mol
LogP4.71
Rot. Bonds5

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877747) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877747
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc2c1-c1sc(C(=O)NCCCN3CC(C)CC(C)C3)cc1CO2
InChIInChI=1S/C23H30N2O2S/c1-15-10-16(2)13-25(12-15)9-5-8-24-23(26)20-11-18-14-27-19-7-4-6-17(3)21(19)22(18)28-20/h4,6-7,11,15-16H,5,8-10,12-14H2,1-3H3,(H,24,26)
InChIKeyWSLYZHXKHXUINQ-UHFFFAOYSA-N
XLogP4.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877747) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is Cc1cccc2c1-c1sc(C(=O)NCCCN3CC(C)CC(C)C3)cc1CO2.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is WSLYZHXKHXUINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-15-10-16(2)13-25(12-15)9-5-8-24-23(26)20-11-18-14-27-19-7-4-6-17(3)21(19)22(18)28-20/h4,6-7,11,15-16H,5,8-10,12-14H2,1-3H3,(H,24,26).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 398.57 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).